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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02301412

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.7
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.74
43M4-CHLORO-3-METHYLPHENOLA2P7A0.74
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.72
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.77
1744-CHLORO-BENZOIC ACIDX3DLP0.7
1744-CHLORO-BENZOIC ACIDX1T5D0.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.72
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.72
SS2(1R)-1-PHENYLETHANOLA1ZK00.82
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.82
SS2(1R)-1-PHENYLETHANOLA1ZJY0.82
2NAnaphthalen-2-ylmethanolA,B,C3EE50.74
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.73
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.71
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.85
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.72
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.75
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.75
SS11-PHENYLETHANOLH1UM50.82
PEL2-PHENYL-ETHANOLA,B1I0D0.77
PEL2-PHENYL-ETHANOLD,H2I0T0.77
PEL2-PHENYL-ETHANOLA,B1HZY0.77
PEL2-PHENYL-ETHANOLA,B1I0B0.77
PEL2-PHENYL-ETHANOLA1EYW0.77
PEL2-PHENYL-ETHANOLA,B1JGM0.77
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.76
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.73
12M(2-ETHYLPHENYL)METHANOLA,B2F620.78
MNN(S)-MANDELIC ACID NITRILEA1YB60.75
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.72
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.72
341(3,5-difluorophenyl)methanolC3EON0.71
RSOR-STYRENE OXIDEA,B1PWZ0.71